4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide

C16H16N2O4S2 — CID 2166701

IUPAC4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C16H16N2O4S2/c1-3-22-11-4-7-13(8-5-11)24(19,20)18-16-17-14-9-6-12(21-2)10-15(14)23-16/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyPVYOESBBNQERMG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.50
Rot. Bonds6

About 4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide

4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide (PubChem CID 2166701) has the molecular formula C16H16N2O4S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
PubChem CID2166701
Molecular FormulaC16H16N2O4S2
Molecular Weight364.45 g/mol
Exact Mass364.06
IUPAC Name4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C16H16N2O4S2/c1-3-22-11-4-7-13(8-5-11)24(19,20)18-16-17-14-9-6-12(21-2)10-15(14)23-16/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyPVYOESBBNQERMG-UHFFFAOYSA-N
XLogP3.50
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide (CID 2166701) is 4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cc1.
What is the InChIKey of 4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
The InChIKey is PVYOESBBNQERMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S2/c1-3-22-11-4-7-13(8-5-11)24(19,20)18-16-17-14-9-6-12(21-2)10-15(14)23-16/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of 4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide?
4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 2166701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).